Oxalic Acid

Oxalic Acid

SCHEMBL8056984

CC(C)n1nc(C(=O)NC2CCN(CCNC(=O)c3ccccc3)CC2)c2ccccc21.O=C(O)C(=O)O

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.80
HTR2A P28223 2/20 0.59
KCNH2 Q12809 2/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7561756 0.98 HTR4 (0.76) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7392734 0.96 HTR4 (0.77) HTR4HTR2AKCNH2
SCHEMBL9055122 0.94 HTR4 (0.73) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7394778 0.91 HTR4 (0.77) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7393972 0.90 HTR4 (0.75) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7396297 0.89 HTR4 (0.74) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7394634 0.89 HTR4 (0.73) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7395333 0.89 HTR4 (0.73) HTR4HTR2AKCNH2
Oxalic Acid SCHEMBL7397043 0.89 HTR4 (0.73) HTR4HTR2AKCNH2
SCHEMBL7395608 0.88 HTR4 (0.72) HTR4HTR2AKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117882-A 5-HT4 agonists and antagonists ELI LILLY AND COMPANY (US) 2000-09-12 US disclosed
US-6069152-A NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS ELI LILLY AND COMPANY (US) 2000-05-30 US disclosed
EP-0908459-A1 5-HT4 Agonists and antagonists ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed